5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole

C18H24N2O — CID 10062442

IUPAC5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole
SMILESc1cc2cc(OCC3CCN(CC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C18H24N2O/c1-2-14(1)12-20-9-6-15(7-10-20)13-21-17-3-4-18-16(11-17)5-8-19-18/h3-5,8,11,14-15,19H,1-2,6-7,9-10,12-13H2
InChIKeyGYBWSNJGOJUGRI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.67
Rot. Bonds5

About 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole

5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole (PubChem CID 10062442) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole.

Molecular Properties

Compound Name5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole
PubChem CID10062442
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole
SMILESc1cc2cc(OCC3CCN(CC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C18H24N2O/c1-2-14(1)12-20-9-6-15(7-10-20)13-21-17-3-4-18-16(11-17)5-8-19-18/h3-5,8,11,14-15,19H,1-2,6-7,9-10,12-13H2
InChIKeyGYBWSNJGOJUGRI-UHFFFAOYSA-N
XLogP3.67
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole?
The IUPAC name of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole (CID 10062442) is 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole.
What is the SMILES notation for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole?
The canonical SMILES for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole is c1cc2cc(OCC3CCN(CC4CC4)CC3)ccc2[nH]1.
What is the InChIKey of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole?
The InChIKey is GYBWSNJGOJUGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-14(1)12-20-9-6-15(7-10-20)13-21-17-3-4-18-16(11-17)5-8-19-18/h3-5,8,11,14-15,19H,1-2,6-7,9-10,12-13H2.
What are the key properties of 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole?
5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole has a molecular weight of 284.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole is sourced from PubChem (CID 10062442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).